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Hexanoic acid-1,2-[13C2]

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General Information
Catalog: BLP-000666
CAS: 58454-02-7
Molecular Formula: C4[13C]2H12O2
Molecular Weight: 118.14

Chemical Structure

Description	Hexanoic acid-1,2-[13C2] is the labelled analogue of Hexanoic acid. Hexanoic acid has a role as a human metabolite and a plant metabolite. It can be used to synthesize fragrances, food additives and flavor enhancers.
Synonyms	Caproic acid-1,2-13C2; Hexanoic acid-1,2-13C2; SCHEMBL1332504; DTXSID00745666; (1,2-13C2)Hexanoic acid
IUPAC Name	(1,2-13C2)hexanoic acid
Related CAS	142-62-1 (unlabelled)
Isomeric SMILES	CCCC[13CH2][13C](=O)O
Canonical SMILES	CCCCCC(=O)O
InChI	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i5+1,6+1
InChI Key	FUZZWVXGSFPDMH-MPOCSFTDSA-N
Boiling Point	202-203 °C
Melting Point	-3 °C
Purity	99% (CP); 99% atom 13C
Density	0.943 g/mL at 25 °C